Cas no 104613-64-1 (2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride)

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride is a specialized sulfonyl chloride derivative used primarily as an intermediate in organic synthesis. Its reactive sulfonyl chloride group enables efficient incorporation into more complex molecules, particularly in pharmaceutical and agrochemical applications. The presence of both amino and chloro substituents enhances its versatility for further functionalization, while the methyl group contributes to steric and electronic modulation. This compound is valued for its high purity and stability under controlled conditions, ensuring reliable performance in multi-step synthetic routes. Proper handling is essential due to its moisture sensitivity and potential reactivity. It is commonly employed in the preparation of sulfonamides and other sulfonyl-based compounds.
2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride structure
104613-64-1 structure
Product Name:2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride
CAS No:104613-64-1
MF:C7H7Cl2NO2S
MW:240.106978654861
MDL:MFCD08460233
CID:136252
PubChem ID:14868637
Update Time:2025-11-02

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride
    • 2-AMINO-4-CHLORO-5-METHYLBENZENESULFONYL CHLORIDE
    • 2-amino-4-chloro-5-methyl-Benzenesulfonyl chloride
    • Benzenesulfonylchloride, 2-amino-4-chloro-5-methyl-
    • 2-Amino-4-chlor-5-methyl-benzolsulfonsaeure-chlorid
    • 4-amino-6-chloro-toluene-3-sulfonyl chloride
    • 4-Amino-6-chlor-toluol-3-sulfonylchlorid
    • 4-Chlor-6-amino-m-toluolsulfonylchlorid
    • BEN118
    • Benzenesulfonyl chloride,2-amino-4-chloro-5-methyl
    • AKOS015911775
    • Benzenesulfonylchloride,2-amino-4-chloro-5-methyl-
    • 2-Amino-4-chloro-5-methylbenzene-1-sulfonylchloride
    • DTXSID40564838
    • 2-amino-4-chloro-5-methyl benzenesulfonyl chloride
    • FT-0745354
    • SCHEMBL375491
    • 104613-64-1
    • A906880
    • Benzenesulfonyl chloride,2-amino-4-chloro-5-methyl-
    • DB-049961
    • MDL: MFCD08460233
    • Inchi: 1S/C7H7Cl2NO2S/c1-4-2-7(13(9,11)12)6(10)3-5(4)8/h2-3H,10H2,1H3
    • InChI Key: MZNFQQLADSWLLV-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=C(C=C1C)S(=O)(=O)Cl)N

Computed Properties

  • Exact Mass: 238.95700
  • Monoisotopic Mass: 238.9574550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • Boiling Point: 361.855°C at 760 mmHg
  • PSA: 68.54000
  • LogP: 3.82010

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride Security Information

  • Storage Condition:Sealed in dry,2-8°C

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride Pricemore >>

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Additional information on 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride

Comprehensive Guide to 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride (CAS No. 104613-64-1): Properties, Applications, and Market Insights

2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride (CAS No. 104613-64-1) is a specialized sulfonyl chloride derivative widely used in organic synthesis and pharmaceutical research. This compound belongs to the class of aromatic sulfonamides, which are known for their versatility in chemical transformations. With the increasing demand for high-purity intermediates in drug discovery, this compound has gained significant attention from researchers and manufacturers alike.

The molecular structure of 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride features a chloro-substituted benzene ring with both amino and sulfonyl chloride functional groups, making it a valuable building block for various chemical reactions. Recent studies highlight its importance in developing targeted therapeutics, particularly in the field of enzyme inhibitors and bioconjugation chemistry.

One of the most searched questions about this compound relates to its synthetic applications. Researchers frequently inquire about its role in creating sulfonamide-based drugs, which are crucial for treating various medical conditions. The sulfonyl chloride group in this compound serves as an excellent electrophilic center for nucleophilic substitution reactions, enabling the formation of stable sulfonamide bonds with amines.

In the context of current pharmaceutical trends, 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride has emerged as a key intermediate for developing next-generation small molecule drugs. The global market for specialty chemical intermediates is projected to grow significantly, driven by increased R&D investments in precision medicine and personalized therapeutics.

The physical and chemical properties of this compound make it particularly useful in controlled reactions. Its moderate solubility in organic solvents and reactivity profile allow for precise modifications under various conditions. Many researchers are exploring its potential in covalent inhibitor design, a hot topic in current drug discovery circles.

From an industrial perspective, the production of 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride requires specialized chlorosulfonation techniques and strict quality control measures. Manufacturers are increasingly adopting green chemistry principles to improve the sustainability of its synthesis, responding to the growing demand for environmentally friendly processes in the chemical industry.

Analytical characterization of this compound typically involves advanced techniques such as HPLC purity analysis, mass spectrometry, and NMR spectroscopy. These methods ensure the compound meets the stringent requirements for pharmaceutical-grade intermediates, which is a major concern for quality-conscious buyers in the current market.

The storage and handling of 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride require attention to moisture control and temperature stability. Proper chemical storage protocols are essential to maintain its reactivity and shelf life, topics that frequently appear in technical discussions among laboratory professionals.

Looking at patent literature and scientific publications, this compound appears in numerous synthetic routes for biologically active molecules. Its structural features make it particularly valuable for creating compounds with enhanced bioavailability and target specificity, addressing current challenges in medicinal chemistry.

In the global chemical market, suppliers of 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride are focusing on improving supply chain reliability and technical support services. The compound's growing importance in drug development pipelines has created opportunities for specialized manufacturers to establish themselves as trusted partners in the fine chemicals sector.

Future research directions for this compound may explore its potential in catalytic applications or as a precursor for functional materials. As the chemical industry continues to evolve toward more sustainable practices and atom-efficient syntheses, intermediates like 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride will likely play increasingly important roles in innovative chemical processes.

For researchers working with this compound, understanding its structure-activity relationships and reactivity patterns is crucial. Many recent publications focus on optimizing reaction conditions to maximize yields while minimizing byproducts, reflecting the current emphasis on process chemistry optimization in both academic and industrial settings.

The regulatory landscape surrounding such chemical intermediates continues to evolve, with increased focus on safety data and environmental impact assessments. Companies dealing with 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride must stay informed about changing regulations to ensure compliance and maintain their market competitiveness.

In conclusion, 2-Amino-4-chloro-5-methylbenzene-1-sulfonyl chloride (CAS No. 104613-64-1) represents an important chemical building block with diverse applications in modern chemistry. Its unique combination of functional groups and reactivity makes it valuable for researchers developing innovative chemical solutions across multiple industries. As scientific understanding advances and new applications emerge, this compound will likely maintain its position as a significant tool in the chemist's repertoire.

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